CID 15759078

1,4-bis(methoxymethyl)piperazine

Structural Information

Molecular Formula

C₈H₁₈N₂O₂

SMILES

COCN1CCN(CC1)COC

InChI

InChI=1S/C8H18N2O2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-8H2,1-2H3

InChIKey

OJXLIOVJOMRAJX-UHFFFAOYSA-N

Compound name

1,4-bis(methoxymethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 174.13683 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.144106	140.1
[M+Na]+	197.126048	145.7
[M-H]-	173.129554	140.0
[M+NH4]+	192.170653	157.7
[M+K]+	213.099988	145.6
[M+H-H2O]+	157.134090	132.6
[M+HCOO]-	219.135031	158.4
[M+CH3COO]-	233.150681	180.0
[M+Na-2H]-	195.111496	145.1
[M]+	174.13628142	139.7
[M]-	174.13737858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe